ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate

C16H16N2O5 — CID 11638259

IUPACethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C16H16N2O5/c1-4-23-16(20)15-10(2)9-14(19)17(11(15)3)12-5-7-13(8-6-12)18(21)22/h5-9H,4H2,1-3H3
InChIKeyGLFXLLZIFIYGHH-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.54
Rot. Bonds4

About ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate

ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate (PubChem CID 11638259) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate
PubChem CID11638259
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Nameethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C16H16N2O5/c1-4-23-16(20)15-10(2)9-14(19)17(11(15)3)12-5-7-13(8-6-12)18(21)22/h5-9H,4H2,1-3H3
InChIKeyGLFXLLZIFIYGHH-UHFFFAOYSA-N
XLogP2.54
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-4-(4-nitroanilino)-4-oxobut-2-enoate
CID 12621204
Methyl (2Z)-3-[(4-nitrophenyl)carbamoyl]prop-2-enoate
CID 12621205
Ethyl 1-(4-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 11652198
Ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 11637841
Ethyl 2-[1-(2-fluoro-4-nitrophenyl)piperidin-4-ylidene]acetate
CID 132051725
Ethyl 2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetate
CID 2765118
Ethyl 2,4-dimethyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxylate
CID 11651942
2-[Methyl(4-nitrophenyl)amino]ethyl 2-methylprop-2-enoate
CID 53942728
ethyl (E)-3-(4-nitroanilino)but-2-enoate
CID 12498423
(z)-Ethyl 3-((4-nitrophenyl)amino)but-2-enoate
CID 12498424
ethyl (Z)-3-(4-nitroanilino)-3-phenylprop-2-enoate
CID 12848044
Dimethyl 1-(4-nitrophenyl)azepine-2,3-dicarboxylate
CID 53261610

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate (CID 11638259) is ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(-c2ccc([N+](=O)[O-])cc2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is GLFXLLZIFIYGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-4-23-16(20)15-10(2)9-14(19)17(11(15)3)12-5-7-13(8-6-12)18(21)22/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate?
ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-1-(4-nitrophenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 11638259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).